"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer3/Seeker.cpp" between
pymol-v1.8.6.0.tar.bz2 and pymol-v2.1.0.tar.bz2

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

Seeker.cpp  (pymol-v1.8.6.0.tar.bz2)	:	Seeker.cpp  (pymol-v2.1.0.tar.bz2)
skipping to change at line 350		skipping to change at line 350
int logging = SettingGetGlobal_i(G, cSetting_logging);		int logging = SettingGetGlobal_i(G, cSetting_logging);
int continuation = false;		int continuation = false;
if((row_num < 0) || (col_num < 0)) {		if((row_num < 0) || (col_num < 0)) {
switch (button) {		switch (button) {
case P_GLUT_LEFT_BUTTON:		case P_GLUT_LEFT_BUTTON:
if((UtilGetSeconds(G) - I->LastClickTime) < cDoubleTime) {		if((UtilGetSeconds(G) - I->LastClickTime) < cDoubleTime) {
OrthoLineType buf2;		OrthoLineType buf2;
char name[WordLength];		char name[WordLength];
if(ExecutiveGetActiveSeleName(G, name, false, false)) {		if(ExecutiveGetActiveSeleName(G, name, false, false)) {
SelectorCreate(G, name, "none", NULL, true, NULL);		SelectorCreate(G, name, "none", NULL, true, NULL);
if(SettingGetGlobal_i(G, cSetting_logging)) {		if(logging) {
sprintf(buf2, "cmd.select('%s','none', enable=1)", name);		sprintf(buf2, "cmd.select('%s','none', enable=1)", name);
PLog(G, buf2, cPLog_no_flush);		PLog(G, buf2, cPLog_no_flush);
}		}
SeqDirty(G);		SeqDirty(G);
}		}
}		}
I->LastClickTime = UtilGetSeconds(G);		I->LastClickTime = UtilGetSeconds(G);
break;		break;
}		}
} else {		} else {
skipping to change at line 442		skipping to change at line 442
}		}
break;		break;
case P_GLUT_LEFT_BUTTON:		case P_GLUT_LEFT_BUTTON:
if(!col->spacer) {		if(!col->spacer) {
int start_over = false;		int start_over = false;
int center = 0;		int center = 0;
ObjectMolecule *obj;		ObjectMolecule *obj;
if(mod & cOrthoCTRL) {		if(mod & cOrthoCTRL) {
center = 2;		center = 2;
}		}
if(!continuation) {		int codes = SettingGet_i(G, row->obj->Obj.Setting, NULL, cSetting_seq_vi
I->drag_start_col = col_num;		ew_format);
I->drag_last_col = col_num;		if(row->obj->DiscreteFlag && SettingGet_b(G,
I->drag_row = row_num;		row->obj->Obj.Setting,
I->drag_dir = 0;		NULL, cSetting_seq_view_discrete_by_s
I->drag_start_toggle = true;		tate))
} else {		codes = 4;
int tmp;		if (codes != 4 || row->obj->DiscreteFlag) { // keep only non-discrete st
if(((col_num < I->drag_start_col) && (I->drag_last_col > I->drag_start		ates selectable
_col)) ||		if(!continuation) {
((col_num > I->drag_start_col) && (I->drag_last_col < I->drag_start		I->drag_start_col = col_num;
_col))) {		I->drag_last_col = col_num;
tmp = I->drag_last_col;		I->drag_row = row_num;
I->drag_last_col = I->drag_start_col;		I->drag_dir = 0;
I->drag_start_col = tmp;		I->drag_start_toggle = true;
I->drag_dir = -I->drag_dir;		} else {
		int tmp;
		if(((col_num < I->drag_start_col) && (I->drag_last_col > I->drag_sta
		rt_col)) ||
		((col_num > I->drag_start_col) && (I->drag_last_col < I->drag_sta
		rt_col))) {
		tmp = I->drag_last_col;
		I->drag_last_col = I->drag_start_col;
		I->drag_start_col = tmp;
		I->drag_dir = -I->drag_dir;
		}
}		}
}		I->dragging = true;
I->dragging = true;
I->handler.box_active = true;		I->handler.box_active = true;
if(continuation) {		if(continuation) {
SeekerDrag(G, rowVLA, row_num, col_num, mod);		SeekerDrag(G, rowVLA, row_num, col_num, mod);
} else {
if(col->inverse && !start_over) {
SeekerSelectionToggle(G, rowVLA, row_num, col_num, false, false);
I->drag_setting = false;
} else {		} else {
SeekerSelectionToggle(G, rowVLA, row_num, col_num, true, start_over)		if(col->inverse && !start_over) {
;		SeekerSelectionToggle(G, rowVLA, row_num, col_num, false, false);
I->drag_setting = true;		I->drag_setting = false;
		} else {
		SeekerSelectionToggle(G, rowVLA, row_num, col_num, true, start_ove
		r);
		I->drag_setting = true;
		}
}		}
}		}
if(center)		if(center)
SeekerSelectionCenter(G, 2);		SeekerSelectionCenter(G, 2);
if(col->state && (obj = ExecutiveFindObjectMoleculeByName(G, row->name)) ) {		if(col->state && (obj = ExecutiveFindObjectMoleculeByName(G, row->name)) ) {
SettingSetSmart_i(G, obj->Obj.Setting, NULL, cSetting_state, col->stat e);		SettingSetSmart_i(G, obj->Obj.Setting, NULL, cSetting_state, col->stat e);
SceneChanged(G);		SceneChanged(G);
}		}
}		}
break;		break;
}		}
skipping to change at line 509		skipping to change at line 517
sele = SelectorIndexByName(G, "_seeker_hilight");		sele = SelectorIndexByName(G, "_seeker_hilight");
for(b = 0; b < nRow; b++) {		for(b = 0; b < nRow; b++) {
row = rowVLA + b;		row = rowVLA + b;
if((obj = ExecutiveFindObjectMoleculeByName(G, row->name))) {		if((obj = ExecutiveFindObjectMoleculeByName(G, row->name))) {
int a;		int a;
AtomInfoType *atInfo = obj->AtomInfo;		AtomInfoType *atInfo = obj->AtomInfo;
int at;		int at;
int selected;		int selected;
int not_selected;
if(sele < 0) {		if(sele < 0) {
for(a = 0; a < row->nCol; a++) {		for(a = 0; a < row->nCol; a++) {
col = row->col + a;		col = row->col + a;
col->inverse = false;		col->inverse = false;
}		}
} else {		} else {
for(a = 0; a < row->nCol; a++) {		for(a = 0; a < row->nCol; a++) {
col = row->col + a;		col = row->col + a;
if(!col->spacer) {		if(!col->spacer) {
selected = false;		selected = false;
atom_list = row->atom_lists + col->atom_at;		atom_list = row->atom_lists + col->atom_at;
not_selected = true;
while((at = (*atom_list)) >= 0) {		while((at = (*atom_list)) >= 0) {
atom_list++;		atom_list++;
if(SelectorIsMember(G, atInfo[at].selEntry, sele)) {		if(SelectorIsMember(G, atInfo[at].selEntry, sele)) {
selected = true;		selected = true;
} else {
not_selected = true;
}		}
}		}
if(selected)		if(selected)
col->inverse = true;		col->inverse = true;
else		else
col->inverse = false;		col->inverse = false;
} else		} else
col->inverse = false;		col->inverse = false;
}		}
skipping to change at line 853		skipping to change at line 857
}		}
break;		break;
case 'M':		case 'M':
switch (abbr[1]) {		switch (abbr[1]) {
case 'E':		case 'E':
switch (abbr[2]) {		switch (abbr[2]) {
case 'T':		case 'T':
return 'M';		return 'M';
break;		break;
}		}
		break;
		case 'S':
		switch (abbr[2]) {
		case 'E': // MSE (SELENOMETHIONINE)
		return 'M';
		}
}		}
break;		break;
case 'P':		case 'P':
switch (abbr[1]) {		switch (abbr[1]) {
case 'H':		case 'H':
switch (abbr[2]) {		switch (abbr[2]) {
case 'E':		case 'E':
return 'F';		return 'F';
break;		break;
}		}
skipping to change at line 880		skipping to change at line 890
break;		break;
}		}
break;		break;
case 'S':		case 'S':
switch (abbr[1]) {		switch (abbr[1]) {
case 'E':		case 'E':
switch (abbr[2]) {		switch (abbr[2]) {
case 'R':		case 'R':
return 'S';		return 'S';
break;		break;
		case 'C': // SEC (SELENOCYSTEINE)
		return 'U';
		break;
}		}
break;		break;
case 'O': /* SOL -- gromacs solvent residue */		case 'O': /* SOL -- gromacs solvent residue */
switch (abbr[2]) {		switch (abbr[2]) {
case 'L':		case 'L':
return water;		return water;
break;		break;
}		}
break;		break;
}		}
skipping to change at line 1446		skipping to change at line 1459
last = ai;		last = ai;
VLACheck(row->col, CSeqCol, nCol);		VLACheck(row->col, CSeqCol, nCol);
r1 = row->col + nCol;		r1 = row->col + nCol;
r1->start = row->len;		r1->start = row->len;
if(obj->DiscreteFlag)		if(obj->DiscreteFlag)
r1->state = ai->discrete_state;		r1->state = ai->discrete_state;
first_atom_in_label = true;		first_atom_in_label = true;
abbr[0] = SeekerGetAbbr(G, LexStr(G, ai->resn), 'O', 0);		// single letter codes for polymer/solvent
		if (!(ai->flags & (cAtomFlag_organic | cAtomFlag_inorganic))) {
		abbr[0] = SeekerGetAbbr(G, LexStr(G, ai->resn), 'O', 0);
		} else {
		abbr[0] = 0;
		}
r1->hint_no_space = last_abbr || last_spacer;		r1->hint_no_space = last_abbr || last_spacer;
if(!abbr[0]) {		if(!abbr[0]) {
if(last_abbr) {		if(last_abbr) {
UtilConcatVLA(&row->txt, &row->len, " ");		UtilConcatVLA(&row->txt, &row->len, " ");
r1->start = row->len;		r1->start = row->len;
}		}
if(ai->resn)		if(ai->resn)
skipping to change at line 1573		skipping to change at line 1591
} else {		} else {
r1->tag = 0;		r1->tag = 0;
}		}
UtilConcatVLA(&row->txt, &row->len, " ");		UtilConcatVLA(&row->txt, &row->len, " ");
nCol++;		nCol++;
}		}
break;		break;
case 4: /* state names */		case 4: /* state names */
if(obj->DiscreteFlag) {		if(obj->DiscreteFlag) {
CoordSet *cs;		CoordSet *cs;
		WordType buf1;
if((cs = obj->DiscreteCSet[a]) != last_disc) {		if((cs = obj->DiscreteCSet[a]) != last_disc) {
last_disc = cs;		last_disc = cs;
if(cs) {		if(cs) {
default_color = SettingGet_i(G, cs->Setting, obj->Obj.Setting,		default_color = SettingGet_i(G, cs->Setting, obj->Obj.Setting,
cSetting_seq_view_color);		cSetting_seq_view_color);
VLACheck(row->col, CSeqCol, nCol);		VLACheck(row->col, CSeqCol, nCol);
r1 = row->col + nCol;		r1 = row->col + nCol;
r1->start = row->len;		r1->start = row->len;
r1->color = default_color;		r1->color = default_color;
first_atom_in_label = true;		first_atom_in_label = true;
if(cs->Name[0])		if(cs->Name[0])
UtilConcatVLA(&row->txt, &row->len, cs->Name);		UtilConcatVLA(&row->txt, &row->len, cs->Name);
else		else {
UtilConcatVLA(&row->txt, &row->len, "''");		sprintf(buf1, "%d", ai->discrete_state);
		UtilConcatVLA(&row->txt, &row->len, buf1);
		}
r1->stop = row->len;		r1->stop = row->len;
r1->state = ai->discrete_state;		r1->state = ai->discrete_state;
UtilConcatVLA(&row->txt, &row->len, " ");		UtilConcatVLA(&row->txt, &row->len, " ");
nCol++;		nCol++;
}		}
}		}
} else {		} else {
/* non-discrete objects simply get their states enumerated		/* non-discrete objects simply get their states enumerated
without selections */		without selections */
End of changes. 15 change blocks.
37 lines changed or deleted		60 lines changed or added

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